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Information card for entry 4326800
Preview
| Coordinates | 4326800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H41 Cl2 Mo2 O9 P S W2 |
|---|---|
| Calculated formula | C38 H41 Cl2 Mo2 O9 P S W2 |
| SMILES | [W](C#[O])(C#[O])(C#[O])(C#[O])[S]([W](P1[Mo]23456789%10([cH]%11[cH]2[cH]3[cH]4[cH]5%11)[c]21[c]6([cH]7[c]8([cH]9[c]%102C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])(C#[O])C#[O])[Mo]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]4[cH]35.C(Cl)Cl |
| Title of publication | A Thiophosphinidene Complex as a Vehicle in Phosphinidene Transmetalation: Easy Formation and Cleavage of a P-S Bond |
| Authors of publication | Belén Alvarez; M. Angeles Alvarez; Inmaculada Amor; M. Esther García; Miguel A. Ruiz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 10561 - 10563 |
| a | 11.2072 ± 0.0004 Å |
| b | 14.6547 ± 0.0005 Å |
| c | 14.7204 ± 0.0005 Å |
| α | 102.093 ± 0.002° |
| β | 109.525 ± 0.002° |
| γ | 105.085 ± 0.002° |
| Cell volume | 2080.07 ± 0.14 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0401 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0487 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179371 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/68. |
4326800.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326800.cif |
| 49574 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4326800 via cif-deposit CGI script. |
4326800.cif |
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Users of the data should acknowledge the original authors of the
structural data.